CHEMBL4059807
SMILES | CNC(=O)[C@H]1[Se][C@@H](n2cnc3c(NCc4ccccc4OC)ncnc32)[C@H](O)[C@@H]1O |
InChIKey | DMJZERIZAOVMHE-QCUYGVNKSA-N |
Chemical properties
Hydrogen bond acceptors | 9 |
Hydrogen bond donors | 4 |
Rotatable bonds | 6 |
Molecular weight (Da) | 478.1 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A3 | AA3R | Human | Adenosine | A | pKi | 8.43 | 8.43 | 8.43 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 5.9 | 5.9 | 5.9 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 5.73 | 5.73 | 5.73 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |